Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.54 |
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | FAAH | O00519 | 3/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARD | Q03181 | 4/20 | 0.40 |
| ▸ | PPARA | Q07869 | 4/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP3 | P05413 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29518 | 0.83 | CES2 (0.65) | CES2CES1TSHRFAAHAKR1B1 | |
| SCHEMBL8436673 | 0.81 | CES1 (0.67) | CES2CES1TSHRAKR1B1PPARG | |
| SCHEMBL4742971 | 0.79 | TSHR (0.46) | CES2CES1TSHRFAAHAKR1B1 | |
| SCHEMBL27634099 | 0.79 | CES1 (0.64) | CES2CES1TSHRAKR1B1PPARG | |
| SCHEMBL30762095 | 0.79 | CES2 (0.68) | CES2CES1TSHRPPARGPPARD | |
| SCHEMBL9074296 | 0.79 | CES2 (0.68) | CES2CES1TSHRPPARGPPARD | |
| SCHEMBL21981556 | 0.79 | CES2 (0.68) | CES2CES1TSHRPPARGPPARD | |
| SCHEMBL176299 | 0.77 | TSHR (0.50) | CES2CES1TSHRFAAHAKR1B1 | |
| SCHEMBL13031026 | 0.76 | — | — | |
| SCHEMBL13447284 | 0.76 | CES1 (0.39) | CES2CES1TSHRFAAHAKR1B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0168761-B1 | PROCESS FOR THE PRODUCTION OF 2-METHYL-2-ALKENALS FROM DIHYDROPYRANES | BASF Aktiengesellschaft (DE) | 1987-04-01 | — | — | EP | disclosed |
| EP-0168761-A1 | Process for the production of 2-methyl-2-alkenals from dihydropyranes | BASF Aktiengesellschaft (DE) | 1986-01-22 | — | — | EP | disclosed |